2000 character limit reached
Plasmon Enhanced Spectroscopy and Photocatalysis (2402.13478v3)
Published 21 Feb 2024 in physics.chem-ph
Abstract: This study examines the Raman scattering and charge transfer properties of molecules adsorbed on the surface of a tetrahedral Au$_{120}$ nanoparticle based on the time-dependent density functional tight-binding (TD-DFTB) method. We study Raman scattering (SERS) enhancements for pyridine where the molecule is adsorbed either on the tip (V complex) or surface (S complex) of the nanoparticle. The scattering intensity is enhanced by a factor of 3-15 due to chemical effects while significantly larger enhancements (in the order of 10$2$-10$4$) are observed for plasmon resonance excitation at an energy of 2.5 eV depending on the adsorption site. Furthermore, we demonstrate charge transfer between the nanoparticle and a fullerene-based molecule after pulsed excitation of the plasmon resonance which shows how plasmon excitation can lead to negative molecular ion formation. All of these results are consistent with earlier studies using either TD-DFT theory or experimental measurements.
- David L. Jeanmaire and Richard P. Van Duyne “Surface Raman Spectroelectrochemistry: Part I. Heterocyclic, Aromatic, and Aliphatic Amines Adsorbed on the Anodized Silver Electrode” In J. Electroanal. Chem. Interfacial Electrochem. 84.1, 1977, pp. 1–20
- “Anomalously intense Raman spectra of pyridine at a silver electrode” In J. Am. Chem. Soc. 99.15, 1977, pp. 5215–5217
- “Surface-Enhanced Raman Spectroscopy” In Annu. Rev. Anal. Chem. 1.1, 2008, pp. 601–626
- Shuming Nie and Steven R. Emory “Probing Single Molecules and Single Nanoparticles by Surface-Enhanced Raman Scattering” In Science 275.5303, 1997, pp. 1102–1106
- “Single Molecule Detection Using Surface-Enhanced Raman Scattering (SERS)” In Phys. Rev. Lett. 78 American Physical Society, 1997, pp. 1667–1670
- “Probing the Structure of Single-Molecule Surface-Enhanced Raman Scattering Hot Spots” In J. Am. Chem. Soc. 130.38, 2008, pp. 12616–12617
- Janina Kneipp, Harald Kneipp and Katrin Kneipp “SERS-a single-molecule and nanoscale tool for bioanalytics” In Chem. Soc. Rev. 37, 2008, pp. 1052–1060
- “Plasmon-Enhanced Stimulated Raman Scattering Microscopy with Single-Molecule Detection Sensitivity” In Nat. Commun. 10, 2019, pp. 5318
- M. Fleischmann, P.J. Hendra and A.J. McQuillan “Raman Spectra of Pyridine Adsorbed at a Silver Electrode” In Chem. Phys. Lett. 26.2, 1974, pp. 163–166
- “Toward a Glucose Biosensor Based on Surface-Enhanced Raman Scattering” In J. Am. Chem. Soc. 125.2, 2003, pp. 588–593
- Ralph A. Tripp, Richard A. Dluhy and Yiping Zhao “Novel Nanostructures for SERS Biosensing” In Nano Today 3.3, 2008, pp. 31–37
- “Screening of Type I and II Drug Binding to Human Cytochrome P450-3A4 in Nanodiscs by Localized Surface Plasmon Resonance Spectroscopy” In Anal. Chem. 81.10, 2009, pp. 3754–3759
- “Electrochemical Tip-Enhanced Raman Spectroscopy” In J. Am. Chem. Soc. 137.37, 2015, pp. 11928–11931
- Dmitry Kurouski, Michael Mattei and Richard P. Van Duyne “Probing Redox Reactions at the Nanoscale with Electrochemical Tip-Enhanced Raman Spectroscopy” In Nano Lett. 15.12, 2015, pp. 7956–7962
- Katherine A. Willets and Richard P. Van Duyne “Localized Surface Plasmon Resonance Spectroscopy and Sensing” In Annu. Rev. Phys. Chem. 58.1, 2007, pp. 267–297
- Stacey D. Standridge, George C. Schatz and Joseph T. Hupp “Distance Dependence of Plasmon-Enhanced Photocurrent in Dye-Sensitized Solar Cells” In J. Am. Chem. Soc. 131.24, 2009, pp. 8407–8409
- Marc Achermann “Exciton-Plasmon Interactions in Metal-Semiconductor Nanostructures” In J. Phys. Chem. Lett. 1.19, 2010, pp. 2837–2843
- Lasse Jensen, Christine M. Aikens and George C. Schatz “Electronic Structure Methods for Studying Surface-Enhanced Raman Scattering” In Chem. Soc. Rev. 37, 2008, pp. 1061–1073
- Christine M. Aikens and George C. Schatz “TDDFT Studies of Absorption and SERS Spectra of Pyridine Interacting with Au20” In J. Phys. Chem. A 110.49, 2006, pp. 13317–13324
- Wen‐Hui Yang and George C. Schatz “Ab-initio and Semiempirical Molecular Orbital Studies of Surface Enhanced and Bulk Hyper‐Raman Scattering from Pyridine” In J. Chem. Phys. 97.5, 1992, pp. 3831–3845
- Rebecca L. Gieseking, Mark A. Ratner and George C. Schatz “Theoretical Modeling of Voltage Effects and the Chemical Mechanism in Surface-Enhanced Raman Scattering” In Faraday Discuss. 205, 2017, pp. 149–171
- “DFTB+, a Software Package for Efficient Approximate Density Functional Theory based Atomistic Simulations” In J. Chem. Phys. 152.12, 2020, pp. 124101
- “A Real-Time Time-Dependent Density Functional Tight-Binding Implementation for Semiclassical Excited State Electron–Nuclear Dynamics and Pump–Probe Spectroscopy Simulations” In J. Chem. Theory Comput. 16.7, 2020, pp. 4454–4469
- “Heterogeneous CPU+GPU-Enabled Simulations for DFTB Molecular Dynamics of Large Chemical and Biological Systems” In J. Chem. Theory Comput. 15.5, 2019, pp. 2807–2815
- Maxime Van den Bossche “DFTB-Assisted Global Structure Optimization of 13- and 55-Atom Late Transition Metal Clusters” In J. Phys. Chem. A 123.13, 2019, pp. 3038–3045
- “TD-DFT+TB: An Efficient and Fast Approach for Quantum Plasmonic Excitations” In J. Phys. Chem. C 124.14, 2020, pp. 7946–7955
- “Density Functional Tight Binding for Quantum Plasmonics” In J. Phys. Chem. C 122.34, 2018, pp. 19756–19766
- “DFTB Parameters for the Periodic Table: Part III, Spin-Orbit Coupling” In J. Chem. Theory Comput. 18.7, 2022, pp. 4472–4481
- Cristián G. Sánchez and Matias Berdakin “Plasmon-Induced Hot Carriers: An Atomistic Perspective of the First Tens of Femtoseconds” In J. Phys. Chem. C 126.24, 2022, pp. 10015–10023
- Sajal Kumar Giri and George C. Schatz “Photodissociation of H2 on Ag and Au Nanoparticles: Effect of Size and Plasmon versus Interband Transitions on Threshold Intensities for Dissociation” In J. Phys. Chem. C 127.8, 2023, pp. 4115–4123
- “Molecular Dynamics Study of Plasmon-Mediated Chemical Transformations” In Chem. Sci. 14, 2023, pp. 4714–4723
- “Hot-Carrier Transfer across a Nanoparticle–Molecule Junction: The Importance of Orbital Hybridization and Level Alignment” In Nano Lett. 22.21, 2022, pp. 8786–8792
- “SERS Study of the Mechanism of Plasmon-Driven Hot Electron Transfer between Gold Nanoparticles and PCBM” In J. Phys. Chem. C 123.49, 2019, pp. 29908–29915
- Oscar A. Douglas-Gallardo, Matías Berdakin and Cristián G. Sánchez “Atomistic Insights into Chemical Interface Damping of Surface Plasmon Excitations in Silver Nanoclusters” In J. Phys. Chem. C 120.42, 2016, pp. 24389–24399
- “Optical Properties of Graphene Nanoflakes: Shape Matters” In J. Chem. Phys. 144.22, 2016, pp. 224305
- “Absorption Spectrum of C60 in the Gas Phase: Autoionization via Core‐Excited Rydberg States” In J. Chem. Phys. 104.3, 1996, pp. 899–902
- “Localized Surface Plasmon Resonance Spectroscopy near Molecular Resonances” In J. Am. Chem. Soc. 128.33, 2006, pp. 10905–10914
- “Interaction of Plasmon and Molecular Resonances for Rhodamine 6G Adsorbed on Silver Nanoparticles” In J. Am. Chem. Soc. 129.24, 2007, pp. 7647–7656
Paper Prompts
Sign up for free to create and run prompts on this paper using GPT-5.
Top Community Prompts
Collections
Sign up for free to add this paper to one or more collections.
